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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-33503
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Cl', 'N', 'S', 'Sb']
  • Chemical System: Cl-N-S-Sb
  • Density: 2.4367538603007888
  • Atomic Density: 0.034018232569076226
  • Unit Cell Volume: 1881.3440665985174
  • Molar Volume: 17.702685604761072
  • Full Formula: Sb8 S8 N8 Cl40
  • Reduced Formula: SbSNCl5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m